| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 14th, 2010 | 19 | Yes |
Popular Name: 4-[4-(3-aminopropyl)-1,4-diazepan-1-yl]-N,N-dimethyl-butanamide 4-[4-(3-aminopropyl)-1,4-diazepa…
| Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
|---|---|---|---|---|---|---|---|---|---|---|
| Ref Reference (pH 7) | -0.97 | 3.89 | -94.47 | 4 | 5 | 2 | 56 | 272.437 | 7 | ↓ |
| Hi High (pH 8-9.5) | -0.97 | 3.32 | -39.46 | 3 | 5 | 1 | 54 | 271.429 | 7 | ↓ |
| Hi High (pH 8-9.5) | -0.97 | 1.87 | -49.04 | 3 | 5 | 1 | 54 | 271.429 | 7 | ↓ |
| Mid Mid (pH 6-8) | -0.97 | 5.35 | -112.79 | 4 | 5 | 2 | 55 | 272.437 | 7 | ↓ |
| Lo Low (pH 4.5-6) | -0.97 | 3.7 | -111.23 | 4 | 5 | 2 | 56 | 272.437 | 7 | ↓ |
